SCHEMBL8973683

SCHEMBL8973683

CCCCOc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.56
TDP1 Q9NUW8 1/20 0.56
MAPT P10636 7/20 0.56
KMT2A Q03164 4/20 0.55
MEN1 O00255 3/20 0.55
NPC1 O15118 2/20 0.55
RAB9A P51151 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
ALPG P10696 1/20 0.55
POLB P06746 1/20 0.55
NFKB1 P19838 1/20 0.55
MAPK1 P28482 1/20 0.55
NFKB2 Q00653 1/20 0.55
RELA Q04206 1/20 0.55
HSPB1 P04792 1/20 0.52
LMNA P02545 4/20 0.52
NPSR1 Q6W5P4 2/20 0.52
CYP19A1 P11511 4/20 0.52
KDM4E B2RXH2 1/20 0.51
PKM P14618 1/20 0.51

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8973693 0.95 CYP19A1 (0.57) ALDH1A1TDP1MAPTKMT2AMEN1
SCHEMBL8973848 0.94 CYP19A1 (0.60) ALDH1A1TDP1MAPTKMT2ASMN1; SMN2
SCHEMBL8973675 0.94 CYP19A1 (0.60) ALDH1A1TDP1MAPTKMT2ASMN1; SMN2
SCHEMBL7569216 0.94 CYP19A1 (0.60) ALDH1A1TDP1MAPTKMT2ASMN1; SMN2
SCHEMBL8973648 0.94 CYP19A1 (0.60) ALDH1A1TDP1MAPTKMT2ASMN1; SMN2
SCHEMBL7786961 0.94 CYP19A1 (0.60) ALDH1A1TDP1MAPTKMT2ASMN1; SMN2
SCHEMBL11572440 0.94 CYP19A1 (0.60) ALDH1A1TDP1MAPTKMT2ASMN1; SMN2
SCHEMBL9638892 0.93 ALDH1A1 (0.55) ALDH1A1TDP1MAPTKMT2AMEN1
SCHEMBL8973132 0.92 CYP19A1 (0.57) ALDH1A1MAPTKMT2AMEN1NPC1
SCHEMBL11221739 0.90 MAPT (0.56) ALDH1A1TDP1MAPTKMT2AMEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1146450-A Technological process for preparation of 2-amino-4- acetaminoanisole by 2,4-dinitro chlorobenzene CHEN LUWU (CN) 1997-04-02 CN claimed
US-20190125882-A1 ISATOIC ANHYDRIDE DERIVATIVES AND APPLICATIONS THEREOF THE UNIVERSITY OF NORTH CAROLINA AT CHARLOTTE (US) 2019-05-02 US disclosed
US-10179175-B2 Isatoic anhydride derivatives and applications thereof THE UNIVERSITY OF NORTH CAROLINA AT CHARLOTTE (US) 2019-01-15 US disclosed
US-20180110862-A1 ISATOIC ANHYDRIDE DERIVATIVES AND APPLICATIONS THEREOF THE UNIVERSITY OF NORTH CAROLINA AT CHARLOTTE 2018-04-26 US disclosed
US-20180110862-A1 ISATOIC ANHYDRIDE DERIVATIVES AND APPLICATIONS THEREOF THE UNIVERSITY OF NORTH CAROLINA AT CHARLOTTE 2018-04-26 US disclosed
US-9867883-B2 Isatoic anhydride derivatives and applications thereof THE UNIVERSITY OF NORTH CAROLINA AT CHARLOTTE (US) 2018-01-16 US disclosed
US-9867883-B2 Isatoic anhydride derivatives and applications thereof THE UNIVERSITY OF NORTH CAROLINA AT CHARLOTTE (US) 2018-01-16 US disclosed
US-20170035893-A1 ISATOIC ANHYDRIDE DERIVATIVES AND APPLICATIONS THEREOF THE UNIVERSITY OF NORTH CAROLINA AT CHARLOTTE 2017-02-09 US disclosed
US-20170035893-A1 ISATOIC ANHYDRIDE DERIVATIVES AND APPLICATIONS THEREOF THE UNIVERSITY OF NORTH CAROLINA AT CHARLOTTE 2017-02-09 US disclosed
WO-2015163952-A1 ISATOIC ANHYDRIDE DERIVATIVES AND APPLICATIONS THEREOF THE UNIVERSITY OF NORTH CAROLINA AT CHARLOTTE (US) 2015-10-29 WO disclosed
CN-1146450-A Technological process for preparation of 2-amino-4- acetaminoanisole by 2,4-dinitro chlorobenzene CHEN LUWU (CN) 1997-04-02 CN disclosed
EP-0335274-B1 Formation of nitrophenyl ethers from polyols and nitroanisoles DOW CHEMICAL CO (US) 1996-03-13 EP disclosed
EP-0292985-B1 PROCESS FOR PREPARING 2,4-DINITRO-PHENYLETHERS HOECHST AKTIENGESELLSCHAFT (DE) 1992-03-25 EP disclosed
US-4960950-A Formation of nitrophenyl ethers from polyols and nitroanisoles THE DOW CHEMICAL COMPANY (US) 1990-10-02 US disclosed
EP-0335274-A2 Formation of nitrophenyl ethers from polyols and nitroanisoles THE DOW CHEMICAL COMPANY (US) 1989-10-04 EP disclosed
US-4847426-A Process for the preparation of 2,4-dinitrophenyl ethers HOECHST AKTIENGESELLSCHAFT (DE) 1989-07-11 US disclosed
EP-0292985-A1 Process for preparing 2,4-dinitro-phenylethers HOECHST AKTIENGESELLSCHAFT (DE) 1988-11-30 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-10179175-B2 Isatoic anhydride derivatives and applications thereof AASDHPPT, CA13, CA12 ALDH1A1 679/4885TDP1 2667/4885MAPT 4720/4885
US-20190125882-A1 ISATOIC ANHYDRIDE DERIVATIVES AND APPLICATIONS THEREOF AASDHPPT, CA13, CA12 ALDH1A1 679/4885TDP1 2667/4885MAPT 4720/4885
US-20180110862-A1 ISATOIC ANHYDRIDE DERIVATIVES AND APPLICATIONS THEREOF AASDHPPT, CA13, CA12 ALDH1A1 679/4885TDP1 2667/4885MAPT 4720/4885
US-20170035893-A1 ISATOIC ANHYDRIDE DERIVATIVES AND APPLICATIONS THEREOF AASDHPPT, CA13, CA12 ALDH1A1 679/4885TDP1 2667/4885MAPT 4720/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.